* LIGAND DATABASE FILE (OPLS2005)
*
001      84    85    154    223     443
    1     0 S   NP   _N1_     1    28.75243    94.11319   -21.82711
    2     1 S   H    _HN1     2     1.02784    97.60707   -98.60729
    3     1 S   H    _H1_     3     1.02948    84.41288     9.26936
    4     1 S   H    _H2_     4     1.02830    29.99580   148.52923
    5     1 S   CT   _CA1     5     1.50157   138.91362   124.13698
    6     5 S   HC   _HA1     6     1.09571   105.12493    71.89667
    7     5 S   CO3  _C1_     7     1.53769   112.53301   -48.16775
    8     7 S   O2Z  _O11     8     1.26391   115.01769   -38.12254
    9     7 S   O2Z  _O12     9     1.26244   114.97054   141.08720
   10     5 S   CT   _CB1    10     1.53113   107.40058  -170.11783
   11    10 S   HC   HB11    11     1.09828   109.26500   -48.43104
   12    10 S   HC   HB12    12     1.09818   110.44225    68.16296
   13    10 S   CT   _CG1    13     1.53019   112.76170  -169.43707
   14    13 S   HC   HG11    14     1.09525   110.55735   -67.43167
   15    13 S   HC   HG12    15     1.09671   109.84697    51.76019
   16    13 S   C    _CD1    16     1.51875   112.29296   172.03595
   17    16 S   O    _OE1    17     1.22729   123.25548     4.92000
   18    16 S   N    _N2_    18     1.38629   111.66738  -174.94011
   19    18 S   H    _HN2    19     1.01573   118.91172     0.57335
   20    18 S   CT1  _CA2    20     1.46350   123.50727   177.19690
   21    20 S   HC   _HA2    21     1.09736   109.38903    -4.53371
   22    20 S   C    _C2_    22     1.53457   108.25854  -119.89277
   23    22 S   O    _O2_    23     1.23028   122.40943  -147.97067
   24    20 S   CT   _CB2    32     1.53277   111.49031   117.71838
   25    24 S   HC   HB21    33     1.09554   109.77452    54.53383
   26    24 S   HC   HB22    34     1.09496   110.87491   173.64535
   27    22 S   N    _N3_    24     1.38370   113.49647    39.49288
   28    27 S   H    _HN3    25     1.01619   119.48722    -3.52270
   29    24 S   S    _SG2    35     1.82403   111.19287   -66.64572
   30    27 S   CT   _CA3    26     1.45282   123.22881   177.06542
   31    30 S   HC   HA31    27     1.09549   107.51590   -64.28897
   32    30 S   HC   HA32    28     1.09555   107.97796    52.14916
   33    29 S   CT   _C17    36     1.82093    99.03438   162.38212
   34    33 S   HC   _H16    37     1.09342   110.05158   -48.67672
   35    33 S   HC   _H17    38     1.09445   107.39308    67.28264
   36    30 S   CO3  _C3_    29     1.52956   114.06428   174.11863
   37    36 S   O2Z  _O31    30     1.26376   116.04655    -1.31448
   38    36 S   O2Z  _O32    31     1.26424   114.42201   178.75494
   39    33 S   CM   _C16    39     1.50539   110.88253  -170.13498
   40    39 S   CMA  _C15    40     1.34966   126.10321  -120.74858
   41    40 S   OM   _O34    41     1.26326   127.75581    -0.83556
   42    40 S   OS   _O33    42     1.41201   110.47147   179.29557
   43    42 S   CT   _C13    43     1.44054   108.49317    -4.24372
   44    43 S   HC   _H6_    44     1.09540   105.32187   126.49637
   45    43 S   CT   _C14    45     1.55145   107.34262  -117.64024
   46    45 S   HC   _H14    46     1.09834   108.81801    56.29206
   47    45 S   HC   _H15    47     1.09838   109.21467   -57.11445
   48    39 S   CT   _C12    61     1.50357   121.78495    59.16082
   49    48 S   HC   _H5_    62     1.09403   108.57603   -59.27651
   50    45 S   CM   _C5_    48     1.51815   114.46057  -179.96044
   51    50 S   CM   _C6_    49     1.34922   119.76796    60.42279
   52    51 S   HC   _H10    50     1.08981   118.08651     7.28120
   53    50 S   CT   _C4_    81     1.50394   114.94726  -114.69866
   54    53 S   HC   _H7_    82     1.09556   109.71098   -57.12204
   55    53 S   HC   _H8_    83     1.09176   113.46809  -176.19594
   56    53 S   HC   _H9_    84     1.09379   110.85174    62.26292
   57    51 S   CT   _C7_    51     1.50991   127.01197  -160.74863
   58    57 S   HC   _H11    52     1.09658   108.85279  -136.74302
   59    57 S   HC   _H12    53     1.09404   112.72527   -20.80254
   60    57 S   CT   _C8_    54     1.55823   110.95210   102.62814
   61    60 S   HC   _H3_    55     1.09899   109.35951    74.40386
   62    60 S   CM   _C9_    56     1.53150   110.98033   -46.08106
   63    60 S   OS   _O37    74     1.44305   110.17315  -166.27945
   64    62 S   CM   _C10    57     1.35181   118.21493    93.22468
   65    64 S   HC   _H13    58     1.09040   117.47158     6.99759
   66    62 S   CT   _C20    70     1.50491   116.11651   -78.65295
   67    66 S   HC   _H21    71     1.09374   109.51894   -85.02797
   68    66 S   HC   _H22    72     1.09132   113.53823   153.90864
   69    66 S   HC   _H23    73     1.09451   111.11686    34.43046
   70    63 S   CO4  _C21    75     1.36104   117.57106   -79.26353
   71    70 S   O    _O38    76     1.22311   126.42537    -0.20174
   72    64 S   CT   _C11    59     1.51350   129.17517  -163.27299
   73    72 S   HC   _H4_    60     1.09830   109.14158  -164.32440
   74    70 S   CT   _C22    77     1.49854   109.42562   179.69999
   75    74 S   HC   _H24    78     1.09295   109.81584   -61.30357
   76    74 S   HC   _H25    79     1.09376   109.36926   179.61437
   77    74 S   HC   _H26    80     1.09295   109.83867    60.56446
   78    72 S   OS   _O35    63     1.44334   109.79406   -45.02650
   79    78 S   CO4  _C18    64     1.36273   117.46352   -80.18003
   80    79 S   O    _O36    65     1.22313   126.52846    -1.56248
   81    79 S   CT   _C19    66     1.49840   109.38905   178.56496
   82    81 S   HC   _H18    67     1.09294   109.87076   -57.28972
   83    81 S   HC   _H19    68     1.09371   109.35530  -176.10791
   84    81 S   HC   _H20    69     1.09229   109.83046    64.66230
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   6   5   4   3
  10   4   3   2   1   1  12   8   3   9  13   7  13   5   4   9
   4  10  12   5   4   2   1   1   9   5   4  13   5  11   8   9
   4   4   2   1   1   5   4   5   2   3   2   1   1   6   5   4
   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    72    48    49  
   35    39    40    48  
   39    40    48  
   37    38  
   38  
    0  
   40    41    42    43    44    45    64    72    73    48    49    78  
   41    42    43    44    45    72    48    49  
   42    43    48  
   43    44    45    46    47    50    72    48    49  
   44    45    46    47    50    51    64    72    73    48    49    78    53  
   45    46    47    50    72    48    49  
   46    47    50    51    52    57    72    48    49    53    54    55    56  
   47    50    51    48    53  
   50    51    48    53  
   49    78    79    50    62    64    65    72    73  
   78    64    72    73  
   51    52    57    58    59    60    53    54    55    56  
   52    57    58    59    60    61    62    63    53    54    55    56  
   57    58    59    60    53  
   54    55    56    57  
   55    56  
   56  
    0  
   58    59    60    61    62    64    66    63    70  
   59    60    61    62    63  
   60    61    62    63  
   61    62    64    65    72    66    67    68    69    63    70    71    74  
   62    64    66    63    70  
   64    65    72    73    78    66    67    68    69    63    70  
   70    71    74    75    76    77    64    66  
   65    72    73    78    79    66    67    68    69  
   72    73    78    66  
   67    68    69    72  
   68    69  
   69  
    0  
   71    74    75    76    77  
   74    75    76    77  
   73    78    79    80    81  
   78    79  
   75    76    77  
   76    77  
   77  
    0  
   79    80    81    82    83    84  
   80    81    82    83    84  
   81    82    83    84  
   82    83    84  
   83    84  
   84  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   79   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   83   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   84   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    48   317.000  1.510
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    48   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    50   317.000  1.510
   50    51   549.000  1.340
   50    53   317.000  1.510
   51    52   340.000  1.080
   51    57   317.000  1.510
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   268.000  1.529
   60    61   340.000  1.090
   60    62   317.000  1.510
   60    63   320.000  1.410
   62    64   549.000  1.340
   62    66   317.000  1.510
   64    65   340.000  1.080
   64    72   317.000  1.510
   72    73   340.000  1.090
   72    48   268.000  1.529
   72    78   320.000  1.410
   48    49   340.000  1.090
   78    79   214.000  1.327
   79    80   570.000  1.229
   79    81   317.000  1.522
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   63    70   214.000  1.327
   70    71   570.000  1.229
   70    74   317.000  1.522
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    48    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    42    80.00000  120.01400
   39    48    43    70.00000  112.02700
   39    48    72    70.00000  112.02700
   39    48    49    35.00000  109.50000
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    50.00000  109.50000
   42    43    48    50.00000  109.50000
   43    45    46    37.50000  110.70000
   43    45    47    37.50000  110.70000
   43    45    50    70.00000  112.02700
   43    48    72    58.35000  112.70000
   43    48    49    37.50000  110.70000
   45    43    44    37.50000  110.70000
   45    50    51    70.00000  124.00000
   45    50    53    65.00000  117.92700
   47    45    46    33.00000  107.80000
   50    45    46    35.00000  109.50000
   50    45    47    35.00000  109.50000
   50    51    52    35.00000  120.00000
   50    51    57    70.00000  124.00000
   50    53    54    35.00000  109.50000
   50    53    55    35.00000  109.50000
   50    53    56    35.00000  109.50000
   51    57    58    35.00000  109.50000
   51    57    59    35.00000  109.50000
   51    57    60    70.00000  112.02700
   57    51    52    35.00000  117.00000
   57    60    61    37.50000  110.70000
   57    60    62    70.00000  112.02700
   57    60    63    50.00000  109.50000
   59    57    58    33.00000  107.80000
   60    57    58    37.50000  110.70000
   60    57    59    37.50000  110.70000
   60    62    64    70.00000  124.00000
   60    62    66    65.00000  117.92700
   60    63    70    83.00000  116.90000
   62    60    61    35.00000  109.50000
   62    64    65    35.00000  120.00000
   62    64    72    70.00000  124.00000
   62    66    67    35.00000  109.50000
   62    66    68    35.00000  109.50000
   62    66    69    35.00000  109.50000
   64    72    73    35.00000  109.50000
   64    72    48    70.00000  112.02700
   64    72    78    85.00000  110.90400
   72    64    65    35.00000  117.00000
   72    48    49    37.50000  110.70000
   72    78    79    83.00000  116.90000
   48    39    40    70.00000  124.00000
   48    43    44    37.50000  110.70000
   48    43    45    58.35000  112.70000
   48    72    73    37.50000  110.70000
   78    72    73    35.00000  109.50000
   78    72    48    50.00000  109.50000
   78    79    80    83.00000  123.40000
   78    79    81    81.00000  111.40000
   79    81    82    35.00000  109.50000
   79    81    83    35.00000  109.50000
   79    81    84    35.00000  109.50000
   81    79    80    80.00000  120.40000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   66    62    64    70.00000  124.00000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   63    60    61    35.00000  109.50000
   63    60    62    85.00000  110.90400
   63    70    71    83.00000  123.40000
   63    70    74    81.00000  111.40000
   70    74    75    35.00000  109.50000
   70    74    76    35.00000  109.50000
   70    74    77    35.00000  109.50000
   74    70    71    80.00000  120.40000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   53    50    51    70.00000  124.00000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    48   0.30250  1.0 1.0
   29    33    39    48  -0.14950 -1.0 2.0
   29    33    39    48   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    48    43   0.46850  1.0 1.0
   33    39    48    43   0.08550 -1.0 2.0
   33    39    48    43   0.09800  1.0 3.0
   33    39    48    72   0.46850  1.0 1.0
   33    39    48    72   0.08550 -1.0 2.0
   33    39    48    72   0.09800  1.0 3.0
   33    39    48    49   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    48   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    48   0.34800  1.0 3.0
   39    40   -42    43  -2.26850  1.0 1.0
   39    40   -42    43   3.39050 -1.0 2.0
   40    39   -48    43   0.09850  1.0 1.0
   40    39   -48    43   0.15250 -1.0 2.0
   40    39   -48    43  -0.50650  1.0 3.0
   40    39    48    72   0.09850  1.0 1.0
   40    39    48    72   0.15250 -1.0 2.0
   40    39    48    72  -0.50650  1.0 3.0
   40    39    48    49   0.00000  1.0 1.0
   40    42    43    44   0.08050  1.0 3.0
   40    42    43    45  -0.46850  1.0 1.0
   40    42    43    45   0.09300 -1.0 2.0
   40    42    43    45  -0.12850  1.0 3.0
   40    42   -43    48  -0.46850  1.0 1.0
   40    42   -43    48   0.09300 -1.0 2.0
   40    42   -43    48  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43    45    46   0.23400  1.0 3.0
   42    43    45    47   0.23400  1.0 3.0
   42    43    45    50   0.61850  1.0 1.0
   42    43    45    50  -0.22750 -1.0 2.0
   42    43    45    50   0.15300  1.0 3.0
   42    43   -48    39   0.61850  1.0 1.0
   42    43   -48    39  -0.22750 -1.0 2.0
   42    43   -48    39   0.15300  1.0 3.0
   42    43    48    72   0.62750  1.0 1.0
   42    43    48    72  -0.30950 -1.0 2.0
   42    43    48    72   0.27300  1.0 3.0
   42    43    48    49   0.23400  1.0 3.0
   43    45    50    51   0.09850  1.0 1.0
   43    45    50    51   0.15250 -1.0 2.0
   43    45    50    51  -0.50650  1.0 3.0
   43    45    50    53   0.46850  1.0 1.0
   43    45    50    53   0.08550 -1.0 2.0
   43    45    50    53   0.09800  1.0 3.0
   44    43    45    46   0.15000  1.0 3.0
   44    43    45    47   0.15000  1.0 3.0
   44    43    45    50   0.15000  1.0 3.0
   44    43    48    39   0.15000  1.0 3.0
   44    43    48    72   0.15000  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   45    43    48    39   0.34400  1.0 1.0
   45    43    48    39   0.09450 -1.0 2.0
   45    43    48    39   0.11100  1.0 3.0
   45    43    48    72   0.56750  1.0 1.0
   45    43    48    72  -0.07550 -1.0 2.0
   45    43    48    72   0.20000  1.0 3.0
   45    43    48    49   0.15000  1.0 3.0
   45    50    51    52   7.00000 -1.0 2.0
   45    50    51    57   7.00000 -1.0 2.0
   45    50    53    54   0.34800  1.0 3.0
   45    50    53    55   0.34800  1.0 3.0
   45    50    53    56   0.34800  1.0 3.0
   46    45    50    51   0.00000  1.0 1.0
   46    45    50    53   0.34800  1.0 3.0
   47    45    50    51   0.00000  1.0 1.0
   47    45    50    53   0.34800  1.0 3.0
   50    51    57    58   0.00000  1.0 1.0
   50    51    57    59   0.00000  1.0 1.0
   50    51    57    60   0.09850  1.0 1.0
   50    51    57    60   0.15250 -1.0 2.0
   50    51    57    60  -0.50650  1.0 3.0
   51    50    53    54   0.00000  1.0 1.0
   51    50    53    55   0.00000  1.0 1.0
   51    50    53    56   0.00000  1.0 1.0
   51    57    60    61   0.15000  1.0 3.0
   51    57    60    62   0.31000  1.0 1.0
   51    57    60    62   0.14700 -1.0 2.0
   51    57    60    62   0.07550  1.0 3.0
   51    57    60    63   0.61850  1.0 1.0
   51    57    60    63  -0.22750 -1.0 2.0
   51    57    60    63   0.15300  1.0 3.0
   52    51    57    58   0.33100  1.0 3.0
   52    51    57    59   0.33100  1.0 3.0
   52    51    57    60   0.00000  1.0 1.0
   57    60    62    64   0.09850  1.0 1.0
   57    60    62    64   0.15250 -1.0 2.0
   57    60    62    64  -0.50650  1.0 3.0
   57    60    62    66   0.46850  1.0 1.0
   57    60    62    66   0.08550 -1.0 2.0
   57    60    62    66   0.09800  1.0 3.0
   57    60    63    70  -0.25900  1.0 1.0
   57    60    63    70  -0.47000 -1.0 2.0
   57    60    63    70   0.11750  1.0 3.0
   58    57    60    61   0.15000  1.0 3.0
   58    57    60    62   0.15000  1.0 3.0
   58    57    60    63   0.23400  1.0 3.0
   59    57    60    61   0.15000  1.0 3.0
   59    57    60    62   0.15000  1.0 3.0
   59    57    60    63   0.23400  1.0 3.0
   60    62    64    65   7.00000 -1.0 2.0
   60    62    64    72   7.00000 -1.0 2.0
   60    62    66    67   0.34800  1.0 3.0
   60    62    66    68   0.34800  1.0 3.0
   60    62    66    69   0.34800  1.0 3.0
   60    63    70    71   3.00000 -1.0 2.0
   60    63    70    74   1.63150  1.0 1.0
   60    63    70    74   2.92000 -1.0 2.0
   61    60    62    64   0.00000  1.0 1.0
   61    60    62    66   0.34800  1.0 3.0
   61    60    63    70   0.08050  1.0 3.0
   62    60    63    70  -0.82050  1.0 1.0
   62    60    63    70   0.00600 -1.0 2.0
   62    60    63    70   0.04400  1.0 3.0
   62    64    72    73   0.00000  1.0 1.0
   62    64    72    48   0.09850  1.0 1.0
   62    64    72    48   0.15250 -1.0 2.0
   62    64    72    48  -0.50650  1.0 3.0
   62    64    72    78   0.39000  1.0 1.0
   62    64    72    78  -0.05800 -1.0 2.0
   62    64    72    78  -0.55150  1.0 3.0
   64    62    66    67   0.00000  1.0 1.0
   64    62    66    68   0.00000  1.0 1.0
   64    62    66    69   0.00000  1.0 1.0
   64    72    48    39   0.31000  1.0 1.0
   64    72    48    39   0.14700 -1.0 2.0
   64    72    48    39   0.07550  1.0 3.0
   64    72    48    43   0.34400  1.0 1.0
   64    72    48    43   0.09450 -1.0 2.0
   64    72    48    43   0.11100  1.0 3.0
   64    72    48    49   0.15000  1.0 3.0
   64    72    78    79  -0.82050  1.0 1.0
   64    72    78    79   0.00600 -1.0 2.0
   64    72    78    79   0.04400  1.0 3.0
   65    64    72    73   0.33100  1.0 3.0
   65    64    72    48   0.00000  1.0 1.0
   65    64    72    78   0.00000  1.0 1.0
   72    78    79    80   3.00000 -1.0 2.0
   72    78    79    81   1.63150  1.0 1.0
   72    78    79    81   2.92000 -1.0 2.0
   73    72    48    39   0.15000  1.0 3.0
   73    72    48    43   0.15000  1.0 3.0
   73    72    48    49   0.15000  1.0 3.0
   73    72    78    79   0.08050  1.0 3.0
   48    39    40    41   7.00000 -1.0 2.0
   48    39   -40    42   7.00000 -1.0 2.0
   48    43    45    46   0.15000  1.0 3.0
   48    43    45    47   0.15000  1.0 3.0
   48    43    45    50   0.34400  1.0 1.0
   48    43    45    50   0.09450 -1.0 2.0
   48    43    45    50   0.11100  1.0 3.0
   48    72    78    79  -0.25900  1.0 1.0
   48    72    78    79  -0.47000 -1.0 2.0
   48    72    78    79   0.11750  1.0 3.0
   78    72    48    39   0.61850  1.0 1.0
   78    72    48    39  -0.22750 -1.0 2.0
   78    72    48    39   0.15300  1.0 3.0
   78    72    48    43   0.62750  1.0 1.0
   78    72    48    43  -0.30950 -1.0 2.0
   78    72    48    43   0.27300  1.0 3.0
   78    72    48    49   0.23400  1.0 3.0
   78    79    81    82   0.00000  1.0 1.0
   78    79    81    83   0.00000  1.0 1.0
   78    79    81    84   0.00000  1.0 1.0
   80    79    81    82   0.00000  1.0 1.0
   80    79    81    83   0.00000  1.0 1.0
   80    79    81    84   0.00000  1.0 1.0
   66    62    64    65   7.00000 -1.0 2.0
   66    62    64    72   7.00000 -1.0 2.0
   63    60    62    64   0.39000  1.0 1.0
   63    60    62    64  -0.05800 -1.0 2.0
   63    60    62    64  -0.55150  1.0 3.0
   63    60    62    66   0.09700  1.0 1.0
   63    60    62    66   0.15600 -1.0 2.0
   63    60    62    66  -0.50800  1.0 3.0
   63    70    74    75   0.00000  1.0 1.0
   63    70    74    76   0.00000  1.0 1.0
   63    70    74    77   0.00000  1.0 1.0
   71    70    74    75   0.00000  1.0 1.0
   71    70    74    76   0.00000  1.0 1.0
   71    70    74    77   0.00000  1.0 1.0
   53    50    51    52   7.00000 -1.0 2.0
   53    50    51    57   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   33    48    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   45    53    50    51   1.10000 -1.0 2.0
   57    52    51    50   1.10000 -1.0 2.0
   60    66    62    64   1.10000 -1.0 2.0
   72    65    64    62   1.10000 -1.0 2.0
   78    81    79    80  10.50000 -1.0 2.0
   63    74    70    71  10.50000 -1.0 2.0
END
